(6-bromo-3-pyridinyl)boronic acid

C5H5BBrNO2 — CID 2762706

IUPAC(6-bromo-3-pyridinyl)boronic acid
SMILESOB(O)c1ccc(Br)nc1
InChIInChI=1S/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKeyBCYWDUVHAPHGIP-UHFFFAOYSA-N
MW201.82 g/mol
LogP-0.48
Rot. Bonds1

About (6-bromo-3-pyridinyl)boronic acid

(6-bromo-3-pyridinyl)boronic acid (PubChem CID 2762706) has the molecular formula C5H5BBrNO2 and a molecular weight of 201.82 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)boronic acid
PubChem CID2762706
Molecular FormulaC5H5BBrNO2
Molecular Weight201.82 g/mol
Exact Mass200.96
IUPAC Name(6-bromo-3-pyridinyl)boronic acid
SMILESOB(O)c1ccc(Br)nc1
InChIInChI=1S/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChIKeyBCYWDUVHAPHGIP-UHFFFAOYSA-N
XLogP-0.48
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.82
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-pyridinyl)boronic acid?
The IUPAC name of (6-bromo-3-pyridinyl)boronic acid (CID 2762706) is (6-bromo-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-bromo-3-pyridinyl)boronic acid?
The canonical SMILES for (6-bromo-3-pyridinyl)boronic acid is OB(O)c1ccc(Br)nc1.
What is the InChIKey of (6-bromo-3-pyridinyl)boronic acid?
The InChIKey is BCYWDUVHAPHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BBrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H.
What are the key properties of (6-bromo-3-pyridinyl)boronic acid?
(6-bromo-3-pyridinyl)boronic acid has a molecular weight of 201.82 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)boronic acid is sourced from PubChem (CID 2762706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).